2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol

C20H25N5O5S — CID 135458366

IUPAC2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol
SMILESCC[C@@H](Nc1nonc1Nc1cccc(S(=O)(=O)N2CCCC2)c1O)c1ccc(C)o1
InChIInChI=1S/C20H25N5O5S/c1-3-14(16-10-9-13(2)29-16)21-19-20(24-30-23-19)22-15-7-6-8-17(18(15)26)31(27,28)25-11-4-5-12-25/h6-10,14,26H,3-5,11-12H2,1-2H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyIVACOWJOOZRFGB-CQSZACIVSA-N
MW447.52 g/mol
LogP3.77
Rot. Bonds8

About 2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol

2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol (PubChem CID 135458366) has the molecular formula C20H25N5O5S and a molecular weight of 447.52 g/mol. Its IUPAC name is 2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol.

Molecular Properties

Compound Name2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol
PubChem CID135458366
Molecular FormulaC20H25N5O5S
Molecular Weight447.52 g/mol
Exact Mass447.16
IUPAC Name2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol
SMILESCC[C@@H](Nc1nonc1Nc1cccc(S(=O)(=O)N2CCCC2)c1O)c1ccc(C)o1
InChIInChI=1S/C20H25N5O5S/c1-3-14(16-10-9-13(2)29-16)21-19-20(24-30-23-19)22-15-7-6-8-17(18(15)26)31(27,28)25-11-4-5-12-25/h6-10,14,26H,3-5,11-12H2,1-2H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyIVACOWJOOZRFGB-CQSZACIVSA-N
XLogP3.77
TPSA133.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-oxido-4-[[(1R)-1-phenylpropyl]amino]-1,2,5-oxadiazol-2-ium-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol
CID 135968066
2-[[4-[[(R)-(5-methylfuran-2-yl)-methyliodanuidylmethyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol
CID 148909826
3-[3-(azepane-1-carbonyl)-2-hydroxyanilino]-4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione
CID 58736566
6-chloro-2-hydroxy-N,N-dimethyl-3-[[5-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-[1,2,5]thiadiazolo[3,4-b]pyrazin-6-yl]amino]benzenesulfonamide
CID 135441289
N,N-diethyl-3-hydroxy-4-[[5-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]thiophene-2-sulfonamide
CID 71228010
3-[3-(8-azaspiro[4.5]decan-8-ylsulfonyl)-4-chloro-2-hydroxyanilino]-4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 163709874
4-chloro-2-[[4-[(5-methylfuran-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol
CID 154544953
3-ethoxy-4-methyl-1,2,5-thiadiazole 1-oxide;2-(methylamino)-6-pyrrolidin-1-ylsulfonylphenol
CID 143076827
3-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-hydroxyanilino]-4-[1-(5-methylfuran-2-yl)propylamino]cyclobut-3-ene-1,2-dione
CID 135286875
N,N-diethyl-3-hydroxy-4-[[5-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,3-dihydro-1H-imidazo[4,5-b]pyrazin-6-yl]amino]thiophene-2-sulfonamide
CID 91248496
3-[3-[[(4aR,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]sulfonyl]-4-chloro-2-hydroxyanilino]-4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione
CID 57384592
3-[1-(5-methylfuran-2-yl)propylamino]-4-[(1-methyl-2-oxo-3-pyridinyl)amino]cyclobut-3-ene-1,2-dione
CID 75273849

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol?
The IUPAC name of 2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol (CID 135458366) is 2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol.
What is the SMILES notation for 2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol?
The canonical SMILES for 2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol is CC[C@@H](Nc1nonc1Nc1cccc(S(=O)(=O)N2CCCC2)c1O)c1ccc(C)o1.
What is the InChIKey of 2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol?
The InChIKey is IVACOWJOOZRFGB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N5O5S/c1-3-14(16-10-9-13(2)29-16)21-19-20(24-30-23-19)22-15-7-6-8-17(18(15)26)31(27,28)25-11-4-5-12-25/h6-10,14,26H,3-5,11-12H2,1-2H3,(H,21,23)(H,22,24)/t14-/m1/s1.
What are the key properties of 2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol?
2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol has a molecular weight of 447.52 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-oxadiazol-3-yl]amino]-6-pyrrolidin-1-ylsulfonylphenol is sourced from PubChem (CID 135458366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).